UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36674873
36674873
6646624
6646624

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Popular Name: 2-phenylsulfanyl-N-(2-pyrrol-1-ylethyl)pyridine-3-carboxamide 2-phenylsulfanyl-N-(2-pyrrol-1-y…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.92 9.01 -16.36 1 4 0 47 323.421 6 ↓

Analogs

57822035
57822035
36674873
36674873
26014379
26014379
26014370
26014370

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Popular Name: 2-(p-tolylsulfanyl)-N-(2-pyrrol-1-ylethyl)pyridine-3-carboxamide 2-(p-tolylsulfanyl)-N-(2-pyrrol-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.37 9.69 -16.32 1 4 0 47 337.448 6 ↓

Analogs

4300662
4300662

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Popular Name: 2-(2,5-dimethoxyphenyl)sulfanyl-N-(2-pyrrol-1-ylethyl)pyridine-3-carboxamide 2-(2,5-dimethoxyphenyl)sulfanyl-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.96 7.65 -19.99 1 6 0 65 383.473 8 ↓

Parameters Provided:

ring.id = 602862
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 602862 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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